7KF1
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5YTE
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![BU of 5yte by Molmil](/molmil-images/mine/5yte) | Large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with with natural dT:dATP base pair | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*AP*TP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | Authors: | Zeng, H, Mondal, M, Song, R.Y, Zhang, J, Xia, B, Gao, Y.Q, Yi, C.Q. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Unnatural Cytosine Bases Recognized as Thymines by DNA Polymerases by the Formation of the Watson-Crick Geometry. Angew. Chem. Int. Ed. Engl., 58, 2019
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6V4T
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![BU of 6v4t by Molmil](/molmil-images/mine/6v4t) | MPER-TMD of HIV-1 Env bound with the entry inhibitor S2C3 | Descriptor: | 4,4'-(decane-1,10-diyl)bis(9-amino-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium), Envelope glycoprotein gp160 | Authors: | Xiao, T, Frey, G, Fu, Q, Lavine, C.L, Scott, D.A, Seaman, M.S, Chou, J.J, Chen, B. | Deposit date: | 2019-11-30 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | HIV-1 fusion inhibitors targeting the membrane-proximal external region of Env spikes. Nat.Chem.Biol., 16, 2020
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8SV3
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![BU of 8sv3 by Molmil](/molmil-images/mine/8sv3) | 7-Deazapurines and 5-Halogenpyrimidine DNA duplex | Descriptor: | GLYCEROL, MAGNESIUM ION, Modified DNA, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2023-05-15 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry. Biochemistry, 62, 2023
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8SV4
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![BU of 8sv4 by Molmil](/molmil-images/mine/8sv4) | 7-Deazapurines and 5-Halogenpyrimidine DNA duplex | Descriptor: | 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, ACETATE ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2023-05-15 | Release date: | 2023-10-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational Morphing by a DNA Analogue Featuring 7-Deazapurines and 5-Halogenpyrimidines and the Origins of Adenine-Tract Geometry. Biochemistry, 62, 2023
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6VED
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![BU of 6ved by Molmil](/molmil-images/mine/6ved) | Solution structure of the TTD and linker region of UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | Authors: | Lemak, A, Houliston, S, Duan, S, Ong, M.S, Arrowsmith, C.H. | Deposit date: | 2019-12-31 | Release date: | 2020-06-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Alternative splicing and allosteric regulation modulate the chromatin binding of UHRF1. Nucleic Acids Res., 48, 2020
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8SSC
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5GWX
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![BU of 5gwx by Molmil](/molmil-images/mine/5gwx) | Crystal structure of glycine sarcosine N-methyltransferase from Methanohalophilus portucalensis in complex with S-adenosylmethionine and sarcosine | Descriptor: | 1,2-ETHANEDIOL, Glycine sarcosine N-methyltransferase, S-ADENOSYLMETHIONINE, ... | Authors: | Lee, Y.R, Lin, T.S, Lai, S.J, Liu, M.S, Lai, M.C, Chan, N.L. | Deposit date: | 2016-09-14 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.205 Å) | Cite: | Structural Analysis of Glycine Sarcosine N-methyltransferase from Methanohalophilus portucalensis Reveals Mechanistic Insights into the Regulation of Methyltransferase Activity. Sci Rep, 6, 2016
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8SSD
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8SSE
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![BU of 8sse by Molmil](/molmil-images/mine/8sse) | Methionine synthase, C-terminal fragment, Cobalamin and Reactivation Domains from Thermus thermophilus HB8 | Descriptor: | COBALAMIN, Methionine synthase | Authors: | Yamada, K, Mendoza, J, Koutmos, M. | Deposit date: | 2023-05-08 | Release date: | 2023-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure of full-length cobalamin-dependent methionine synthase and cofactor loading captured in crystallo. Nat Commun, 14, 2023
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3B7G
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![BU of 3b7g by Molmil](/molmil-images/mine/3b7g) | Human DEAD-box RNA helicase DDX20, Conserved domain I (DEAD) in complex with AMPPNP (Adenosine-(Beta,gamma)-imidotriphosphate) | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP-dependent RNA helicase DDX20 | Authors: | Karlberg, T, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-30 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases. Plos One, 5, 2010
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5YPO
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![BU of 5ypo by Molmil](/molmil-images/mine/5ypo) | Crystal structure of PSD-95 GK domain in complex with phospho-SAPAP peptide | Descriptor: | Disks large homolog 4, GLYCEROL, SAPAP | Authors: | Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhang, R, Zhang, M. | Deposit date: | 2017-11-02 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs. Cell Rep, 21, 2017
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5Y6T
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![BU of 5y6t by Molmil](/molmil-images/mine/5y6t) | Crystal structure of endo-1,4-beta-mannanase from Eisenia fetida | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, endo-1,4-beta-mannanase | Authors: | Hirano, Y, Ueda, M, Tamada, T. | Deposit date: | 2017-08-15 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Gene cloning, expression, and X-ray crystallographic analysis of a beta-mannanase from Eisenia fetida. Enzyme.Microb.Technol., 117, 2018
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5YE4
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![BU of 5ye4 by Molmil](/molmil-images/mine/5ye4) | Crystal structure of the complex of di-acetylated histone H4 and 1A9D7 Fab fragment | Descriptor: | 1A9D7 L chain, 1A9D7 VH CH1 chain, ZINC ION, ... | Authors: | Matsuda, T, Ito, T, Wakamori, M, Umehara, T. | Deposit date: | 2017-09-15 | Release date: | 2018-08-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states. Epigenetics, 13, 2018
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6Q7M
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![BU of 6q7m by Molmil](/molmil-images/mine/6q7m) | Spiral structure of E. coli RavA in the RavA-LdcI cage-like complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase RavA, Inducible lysine decarboxylase, ... | Authors: | Arragain, B, Felix, J, Malet, H, Gutsche, I, Jessop, M. | Deposit date: | 2018-12-13 | Release date: | 2020-02-12 | Last modified: | 2020-02-19 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Structural insights into ATP hydrolysis by the MoxR ATPase RavA and the LdcI-RavA cage-like complex. Commun Biol, 3, 2020
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5FA1
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![BU of 5fa1 by Molmil](/molmil-images/mine/5fa1) | The structure of the beta-3-deoxy-D-manno-oct-2-ulosonic acid transferase domain of WbbB | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Putative N-acetyl glucosaminyl transferase | Authors: | Mallette, E, Ovchinnikova, O.G, Whitfield, C, Kimber, M.S. | Deposit date: | 2015-12-10 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial beta-Kdo glycosyltransferases represent a new glycosyltransferase family (GT99). Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6Q2W
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![BU of 6q2w by Molmil](/molmil-images/mine/6q2w) | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
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5Y97
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![BU of 5y97 by Molmil](/molmil-images/mine/5y97) | Crystal structure of snake gourd seed lectin in complex with lactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Seed lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Chandran, T, Vijayan, M, Sivaji, N, Surolia, A. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study Glycobiology, 28, 2018
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5YSD
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![BU of 5ysd by Molmil](/molmil-images/mine/5ysd) | Crystal structure of beta-1,2-glucooligosaccharide binding protein in complex with sophorotriose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lin1841 protein, MAGNESIUM ION, ... | Authors: | Abe, K, Nakajima, M, Taguchi, H, Arakawa, T, Fushinobu, S. | Deposit date: | 2017-11-14 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and thermodynamic insights into beta-1,2-glucooligosaccharide capture by a solute-binding protein inListeria innocua. J. Biol. Chem., 293, 2018
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5XXV
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![BU of 5xxv by Molmil](/molmil-images/mine/5xxv) | GDP-microtubule complexed with KIF5C in AMPPNP state | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Morikawa, M, Shigematsu, H, Nitta, R, Hirokawa, N. | Deposit date: | 2017-07-05 | Release date: | 2018-10-10 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (6.46 Å) | Cite: | Kinesin-binding-triggered conformation switching of microtubules contributes to polarized transport J. Cell Biol., 217, 2018
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8DWL
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![BU of 8dwl by Molmil](/molmil-images/mine/8dwl) | Inhibitor-3:PP1 coexpressed complex | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase PPP1R11, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ... | Authors: | Choy, M.S, Srivastava, G, Page, R, Peti, W. | Deposit date: | 2022-08-01 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction. Nat Commun, 14, 2023
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8DWK
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![BU of 8dwk by Molmil](/molmil-images/mine/8dwk) | Inhibitor-3:PP1 reconstituted complex | Descriptor: | E3 ubiquitin-protein ligase PPP1R11, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | Authors: | Choy, M.S, Srivastava, G, Page, R, Peti, W. | Deposit date: | 2022-08-01 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction. Nat Commun, 14, 2023
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5Y8Z
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![BU of 5y8z by Molmil](/molmil-images/mine/5y8z) | Crystal Structure Analysis of the BRD4 | Descriptor: | 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Xu, Y, Zhang, Y, Song, M, Wang, C. | Deposit date: | 2017-08-22 | Release date: | 2018-06-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC) J. Med. Chem., 61, 2018
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8SH3
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![BU of 8sh3 by Molmil](/molmil-images/mine/8sh3) | Pendrin in complex with iodide | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CHOLESTEROL, IODIDE ION, ... | Authors: | Wang, L, Hoang, A, Zhou, M. | Deposit date: | 2023-04-13 | Release date: | 2024-02-07 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of anion exchange and small-molecule inhibition of pendrin. Nat Commun, 15, 2024
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6Y9C
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![BU of 6y9c by Molmil](/molmil-images/mine/6y9c) | The structure of a quaternary ammonium Rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer | Descriptor: | CARNITINE, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ... | Authors: | Quareshy, M, Shanmugam, M, Bugg, T.D, Cameron, A, Chen, Y. | Deposit date: | 2020-03-06 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterisation of an unusual cysteine pair in the Rieske carnitine monooxygenase CntA catalytic site. Febs J., 2023
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